CID 48069

66827-31-4

Structural Information

Molecular Formula
C34H66N2
SMILES
CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CCCC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C
InChI
InChI=1S/C34H66N2/c1-27-17-15-23-33(5,6)31(27)21-19-29(3)35(9,10)25-13-14-26-36(11,12)30(4)20-22-32-28(2)18-16-24-34(32,7)8/h29-30H,13-26H2,1-12H3/q+2
InChIKey
SNJDLBPENWHJOQ-UHFFFAOYSA-N
Compound name
4-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]butyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.5226 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.52988 231.4
[M+Na]+ 525.51182 242.6
[M+NH4]+ 520.55642 242.8
[M+K]+ 541.48576 231.9
[M-H]- 501.51532 239.4
[M+Na-2H]- 523.49727 239.1
[M]+ 502.52205 236.6
[M]- 502.52315 236.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.